Thread Author Last Post Replies
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Version 1.5.2 released!

Peter Wood [CCDC Staff]
Mon, 27 Nov 2017 12:38:12 GMT
Peter Wood [CCDC Staff]
0
 Pinned

Welcome to this forum. Please introduce yourself.

Stewart Adcock [CCDC Staff]
Wed, 03 Aug 2016 14:32:11 GMT
Khalil Abboud
8
 Closed  Pinned

Welcome to the CSD Python API Forum

Peter Wood [CCDC Staff]
Mon, 29 Jun 2015 15:55:10 GMT
Peter Wood [CCDC Staff]
0

Molecular formula and weight

CSD CSD System Mercury 
Ioana Sovago
Wed, 04 Jul 2018 16:28:48 GMT
Ioana Sovago
0

Programmatic access to data

CSD 
Joshua Schrier
Fri, 08 Jun 2018 10:27:15 GMT
Stewart Adcock [CCDC Staff]
3

Compare Molecule Similarity Pseudocode

CSD 
Bagnall
Mon, 14 May 2018 07:37:13 GMT
Richard Sykes [CCDC Staff]
3

Searching the database based on structure void space

Martin Ward
Thu, 26 Apr 2018 08:00:24 GMT
Richard Sykes [CCDC Staff]
7

Filtering CSD for molecules with no disorder

CSD 
Puck van Gerwen
Wed, 18 Apr 2018 10:58:20 GMT
Richard Sykes [CCDC Staff]
3

Python for beginners

Louisa Quegan [CCDC Staff]
Wed, 12 Aug 2015 13:54:30 GMT
Christin Schaerfer [CCDC Staff]
4

empty result for what seem a reasonable query

CSD 
Pascal Parois
Mon, 06 Nov 2017 15:53:34 GMT
Richard Sykes [CCDC Staff]
7

normalise hydrogen position

ConQuest CSD 
David Schaller
Sun, 08 Oct 2017 09:39:03 GMT
David Schaller
4

Filter components of molecules?

Ryan Hays
Thu, 07 Sep 2017 14:22:54 GMT
Richard Sykes [CCDC Staff]
1

H-bond propensities

Geoffrey Wood
Fri, 05 May 2017 07:40:03 GMT
Richard Sykes [CCDC Staff]
1

Combine queries?

Pascal Parois
Thu, 20 Apr 2017 13:45:21 GMT
Pascal Parois
6

Strange results from TextNumericSearch

Paul Hodgkinson
Mon, 27 Mar 2017 15:09:16 GMT
Richard Sykes [CCDC Staff]
3

Crystal density calculations

Karlis Berzins
Wed, 22 Feb 2017 11:59:24 GMT
Karlis Berzins
0

Providing input to a Mercury called script

Paul Sanschagrin
Thu, 08 Dec 2016 09:58:47 GMT
Peter Wood [CCDC Staff]
1

Counting hydrogen bonds: Crystal() vs. Molecule() behaviour

Chris Taylor
Mon, 14 Nov 2016 13:44:04 GMT
Chris Taylor
2
 Closed

Version 1.3 released!

Peter Wood [CCDC Staff]
Thu, 17 Nov 2016 11:10:02 GMT
Peter Wood [CCDC Staff]
0

Peculiar behaviour of remove_hydrogens

David Cosgrove
Tue, 20 Sep 2016 17:35:32 GMT
David Cosgrove
2

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